diff --git a/src/MOLECULE/angle_table.cpp b/src/MOLECULE/angle_table.cpp index 54c98ffb61..c5e65be402 100644 --- a/src/MOLECULE/angle_table.cpp +++ b/src/MOLECULE/angle_table.cpp @@ -185,17 +185,17 @@ void AngleTable::allocate() void AngleTable::settings(int narg, char **arg) { - if (narg != 2) error->all(FLERR, "Illegal angle_style command"); + if (narg != 2) error->all(FLERR, "Illegal angle_style command: must have 2 arguments"); if (strcmp(arg[0], "linear") == 0) tabstyle = LINEAR; else if (strcmp(arg[0], "spline") == 0) tabstyle = SPLINE; else - error->all(FLERR, "Unknown table style in angle style table"); + error->all(FLERR, "Unknown table style {} in angle style table", arg[0]); tablength = utils::inumeric(FLERR, arg[1], false, lmp); - if (tablength < 2) error->all(FLERR, "Illegal number of angle table entries"); + if (tablength < 2) error->all(FLERR, "Illegal number of angle table entries: {}", arg[1]); // delete old tables, since cannot just change settings @@ -218,7 +218,7 @@ void AngleTable::settings(int narg, char **arg) void AngleTable::coeff(int narg, char **arg) { - if (narg != 3) error->all(FLERR, "Illegal angle_coeff command"); + if (narg != 3) error->all(FLERR, "Illegal angle_coeff command: must have 3 arguments"); if (!allocated) allocate(); int ilo, ihi; @@ -234,7 +234,7 @@ void AngleTable::coeff(int narg, char **arg) // error check on table parameters - if (tb->ninput <= 1) error->one(FLERR, "Invalid angle table length"); + if (tb->ninput <= 1) error->one(FLERR, "Invalid angle table length: {}", tb->ninput); double alo, ahi; alo = tb->afile[0]; @@ -523,7 +523,7 @@ void AngleTable::param_extract(Table *tb, char *line) } else if (word == "EQ") { tb->theta0 = DEG2RAD * values.next_double(); } else { - error->one(FLERR, "Invalid keyword in angle table parameters"); + error->one(FLERR, "Unknown keyword {} in angle table parameters", word); } } } catch (TokenizerException &e) { diff --git a/src/MOLECULE/bond_table.cpp b/src/MOLECULE/bond_table.cpp index f2e6194052..4068e98e8d 100644 --- a/src/MOLECULE/bond_table.cpp +++ b/src/MOLECULE/bond_table.cpp @@ -132,7 +132,7 @@ void BondTable::allocate() void BondTable::settings(int narg, char **arg) { - if (narg != 2) error->all(FLERR, "Illegal bond_style command"); + if (narg != 2) error->all(FLERR, "Illegal bond_style command: must have 2 arguments"); tabstyle = NONE; if (strcmp(arg[0], "linear") == 0) @@ -143,7 +143,7 @@ void BondTable::settings(int narg, char **arg) error->all(FLERR, "Unknown table style {} in bond style table", arg[0]); tablength = utils::inumeric(FLERR, arg[1], false, lmp); - if (tablength < 2) error->all(FLERR, "Illegal number of bond table entries"); + if (tablength < 2) error->all(FLERR, "Illegal number of bond table entries: {}", arg[1]); // delete old tables, since cannot just change settings @@ -166,7 +166,7 @@ void BondTable::settings(int narg, char **arg) void BondTable::coeff(int narg, char **arg) { - if (narg != 3) error->all(FLERR, "Illegal bond_coeff command"); + if (narg != 3) error->all(FLERR, "Illegal bond_coeff command: must have 3 arguments"); if (!allocated) allocate(); int ilo, ihi; @@ -180,7 +180,7 @@ void BondTable::coeff(int narg, char **arg) // error check on table parameters - if (tb->ninput <= 1) error->all(FLERR, "Invalid bond table length"); + if (tb->ninput <= 1) error->all(FLERR, "Invalid bond table length: {}", tb->ninput); tb->lo = tb->rfile[0]; tb->hi = tb->rfile[tb->ninput - 1]; @@ -481,7 +481,7 @@ void BondTable::param_extract(Table *tb, char *line) } else if (word == "EQ") { tb->r0 = values.next_double(); } else { - error->one(FLERR, "Invalid keyword in bond table parameters"); + error->one(FLERR, "Unknown keyword {} in bond table parameters", word); } } } catch (TokenizerException &e) { diff --git a/src/MOLECULE/dihedral_table.cpp b/src/MOLECULE/dihedral_table.cpp index fc4c41d3bd..1fb05c211c 100644 --- a/src/MOLECULE/dihedral_table.cpp +++ b/src/MOLECULE/dihedral_table.cpp @@ -697,15 +697,15 @@ void DihedralTable::allocate() void DihedralTable::settings(int narg, char **arg) { - if (narg != 2) error->all(FLERR,"Illegal dihedral_style command"); + if (narg != 2) error->all(FLERR,"Illegal dihedral_style command: must have 2 arguments"); if (strcmp(arg[0],"linear") == 0) tabstyle = LINEAR; else if (strcmp(arg[0],"spline") == 0) tabstyle = SPLINE; - else error->all(FLERR,"Unknown table style in dihedral style table"); + else error->all(FLERR,"Unknown table style {} in dihedral style table", arg[0]); tablength = utils::inumeric(FLERR,arg[1],false,lmp); if (tablength < 3) - error->all(FLERR,"Illegal number of dihedral table entries"); + error->all(FLERR,"Illegal number of dihedral table entries: {}", arg[1]); // delete old tables, since cannot just change settings for (int m = 0; m < ntables; m++) free_table(&tables[m]); @@ -727,7 +727,7 @@ void DihedralTable::settings(int narg, char **arg) void DihedralTable::coeff(int narg, char **arg) { - if (narg != 3) error->all(FLERR,"Incorrect args for dihedral coefficients"); + if (narg != 3) error->all(FLERR,"Illegal dihedral_coeff command: must have 3 arguments"); if (!allocated) allocate(); int ilo,ihi; @@ -746,10 +746,9 @@ void DihedralTable::coeff(int narg, char **arg) // --- and resolve issues with periodicity --- if (tb->ninput < 2) - error->all(FLERR,"Invalid dihedral table length: {}",arg[2]); + error->all(FLERR,"Invalid dihedral table length: {}", arg[2]); else if ((tb->ninput == 2) && (tabstyle == SPLINE)) - error->all(FLERR,"Invalid dihedral spline table length: {} " - "(Try linear)",arg[2]); + error->all(FLERR,"Invalid dihedral spline table length: {} (Try linear)",arg[2]); // check for monotonicity for (int i=0; i < tb->ninput-1; i++) { @@ -767,12 +766,10 @@ void DihedralTable::coeff(int narg, char **arg) double phihi = tb->phifile[tb->ninput-1]; if (tb->use_degrees) { if ((phihi - philo) >= 360) - error->all(FLERR,"Dihedral table angle range must be < 360 " - "degrees ({}).",arg[2]); + error->all(FLERR,"Dihedral table angle range must be < 360 degrees ({}).",arg[2]); } else { if ((phihi - philo) >= MY_2PI) - error->all(FLERR,"Dihedral table angle range must be < 2*PI " - "radians ({}).",arg[2]); + error->all(FLERR,"Dihedral table angle range must be < 2*PI radians ({}).",arg[2]); } // convert phi from degrees to radians @@ -1200,7 +1197,7 @@ void DihedralTable::param_extract(Table *tb, char *line) checkU_fname = values.next_string(); } else if (word == "CHECKF") { checkF_fname = values.next_string(); - } else error->one(FLERR,"Invalid keyword in dihedral angle table parameters ({})", word); + } else error->one(FLERR,"Unknown keyword {} in dihedral table parameters", word); } } catch (TokenizerException &e) { error->one(FLERR, e.what());